SCHEMBL4119345

SCHEMBL4119345

CCCCOP(=O)(O)C(CC)(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.48
LPAR2 Q9HBW0 6/20 0.48
LPAR1 Q92633 3/20 0.48
CYP3A4 P08684 2/20 0.45
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
S1PR5 Q9H228 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5028839 0.88 CYP3A4 (0.44) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL28395754 0.83 CYP3A4 (0.40) LPAR3LPAR2LPAR1CYP3A4S1PR2
SCHEMBL787793 0.81 CYP3A4 (0.48) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL814225 0.81 CYP3A4 (0.48) LPAR3LPAR2LPAR1CYP3A4S1PR2
SCHEMBL98778 0.81 PPARD (0.38) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL4267679 0.80 CYP3A4 (0.47) LPAR3LPAR2LPAR1CYP3A4S1PR2
SCHEMBL5028888 0.76 FDPS (0.36) LPAR3LPAR2LPAR1CYP3A4S1PR2
SCHEMBL3896487 0.75 GRM2 (0.32)
SCHEMBL5028805 0.75 CYP3A4 (0.41) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL28747383 0.74 LPAR3 (0.82) LPAR3LPAR2LPAR1CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR LPAR3 511/4885LPAR2 903/4885LPAR1 345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.